CID 148973784

C12H13BFN2O3 — CID 148973784

IUPAC—
SMILESO[B]Oc1ccc(F)c2c1cnn2C1CCCCO1
InChIInChI=1S/C12H13BFN2O3/c14-9-4-5-10(19-13-17)8-7-15-16(12(8)9)11-3-1-2-6-18-11/h4-5,7,11,17H,1-3,6H2
InChIKeyZKFRGJOKUJBKKE-UHFFFAOYSA-N
MW263.06 g/mol
LogP1.78
Rot. Bonds3

About CID 148973784

CID 148973784 (PubChem CID 148973784) has the molecular formula C12H13BFN2O3 and a molecular weight of 263.06 g/mol.

Molecular Properties

Compound NameCID 148973784
PubChem CID148973784
Molecular FormulaC12H13BFN2O3
Molecular Weight263.06 g/mol
Exact Mass263.10
IUPAC Name—
SMILESO[B]Oc1ccc(F)c2c1cnn2C1CCCCO1
InChIInChI=1S/C12H13BFN2O3/c14-9-4-5-10(19-13-17)8-7-15-16(12(8)9)11-3-1-2-6-18-11/h4-5,7,11,17H,1-3,6H2
InChIKeyZKFRGJOKUJBKKE-UHFFFAOYSA-N
XLogP1.78
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 148973784 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162044579
CID 162044579
4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
CID 163261780
3-bromo-7-fluoro-1-(oxan-2-yl)indazole
CID 151478980
5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
CID 66875398
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
CID 172594891
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
1-[(2S)-oxan-2-yl]indazole
CID 124562379
6-bromo-5-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 169212239

Frequently Asked Questions

What is the IUPAC name of CID 148973784?
The IUPAC name of CID 148973784 (CID 148973784) is not available.
What is the SMILES notation for CID 148973784?
The canonical SMILES for CID 148973784 is O[B]Oc1ccc(F)c2c1cnn2C1CCCCO1.
What is the InChIKey of CID 148973784?
The InChIKey is ZKFRGJOKUJBKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BFN2O3/c14-9-4-5-10(19-13-17)8-7-15-16(12(8)9)11-3-1-2-6-18-11/h4-5,7,11,17H,1-3,6H2.
What are the key properties of CID 148973784?
CID 148973784 has a molecular weight of 263.06 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148973784 is sourced from PubChem (CID 148973784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).